Alexandre Larouche

Alexandre Larouche, Audrey Durand, Richard Khoury et al.

Polypharmacy, most often defined as the simultaneous consumption of five or more drugs at once, is a prevalent phenomenon in the older population. Some of these polypharmacies, deemed inappropriate, may be associated with adverse health outcomes such as death or hospitalization. Considering the combinatorial nature of the problem as well as the size of claims database and the cost to compute an exact association measure for a given drug combination, it is impossible to investigate every possible combination of drugs. Therefore, we propose to optimize the search for potentially inappropriate polypharmacies (PIPs). To this end, we propose the OptimNeuralTS strategy, based on Neural Thompson Sampling and differential evolution, to efficiently mine claims datasets and build a predictive model of the association between drug combinations and health outcomes. We benchmark our method using two datasets generated by an internally developed simulator of polypharmacy data containing 500 drugs and 100 000 distinct combinations. Empirically, our method can detect up to 72% of PIPs while maintaining an average precision score of 99% using 30 000 time steps.

Maxime Heuillet, Rishika Bhagwatkar, Jonas Ngnawé et al.

Deep learning models operating in the image domain are vulnerable to small input perturbations. For years, robustness to such perturbations was pursued by training models from scratch (i.e., with random initializations) using specialized loss objectives. Recently, robust fine-tuning has emerged as a more efficient alternative: instead of training from scratch, pretrained models are adapted to maximize predictive performance and robustness. To conduct robust fine-tuning, practitioners design an optimization strategy that includes the model update protocol (e.g., full or partial) and the specialized loss objective. Additional design choices include the architecture type and size, and the pretrained representation. These design choices affect robust generalization, which is the model's ability to maintain performance when exposed to new and unseen perturbations at test time. Understanding how these design choices influence generalization remains an open question with significant practical implications. In response, we present an empirical study spanning 6 datasets, 40 pretrained architectures, 2 specialized losses, and 3 adaptation protocols, yielding 1,440 training configurations and 7,200 robustness measurements across five perturbation types. To our knowledge, this is the most diverse and comprehensive benchmark of robust fine-tuning to date. While attention-based architectures and robust pretrained representations are increasingly popular, we find that convolutional neural networks pretrained in a supervised manner on large datasets often perform best. Our analysis both confirms and challenges prior design assumptions, highlighting promising research directions and offering practical guidance.

Alexandre Larouche, Audrey Durand

Generative Flow Networks (GFlowNets; GFNs) are a class of generative models that learn to sample compositional objects proportionally to their a priori unknown value, their reward. We focus on the case where the reward has a specified, actionable structure, namely that it is submodular. We show submodularity can be harnessed to retrieve upper bounds on the reward of compositional objects that have not yet been observed. We provide in-depth analyses of the probability of such bounds occurring, as well as how many unobserved compositional objects can be covered by a bound. Following the Optimism in the Face of Uncertainty principle, we then introduce SUBo-GFN, which uses the submodular upper bounds to train a GFN. We show that SUBo-GFN generates orders of magnitude more training data than classical GFNs for the same number of queries to the reward function. We demonstrate the effectiveness of SUBo-GFN in terms of distribution matching and high-quality candidate generation on synthetic and real-world submodular tasks.